2,4,6-trimethyl-4'-t-butylbenzophenone | 32363-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4,6-trimethyl-4'-t-butylbenzophenone
• 英文别名: (4-(tert-butyl)phenyl)(mesityl)methanone；[4-(1,1-dimethylethyl)phenyl](2,4,6-trimethylphenyl)methanone；2,4,6-Trimethyl-4'-t-butylbenzophenon；4'-tert-butyl-2,4,6-trimethyl-benzophenone；4'-tert-Butyl-2,4,6-trimethyl-benzophenon；p-t-Butylphenyl mesityl ketone；(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)methanone
• CAS: 32363-47-6
• 化学式: C₂₀H₂₄O
• 分子量: 280.41
• InChiKey: ZRSALBLDKLYYRC-UHFFFAOYSA-N

物化性质

• 沸点：
  143-150 °C(Press: 0.25 Torr)
• 密度：
  0.990±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4,6-trimethyl-4'-t-butylbenzophenone 、 硝酸 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Displacement of Substituents in Phenyl 2,4,6-Triisopropylphenyl Ketone by the Action of Grignard Reagents¹

  摘要：

  DOI：

  10.1021/ja01117a080
• 作为产物：
  描述：

  均三甲苯 在 三氯化铝 作用下， 生成 2,4,6-trimethyl-4'-t-butylbenzophenone
  参考文献：
  名称：

  Displacement of Substituents in Phenyl 2,4,6-Triisopropylphenyl Ketone by the Action of Grignard Reagents¹

  摘要：

  DOI：

  10.1021/ja01117a080

文献信息

• Iodine Promoted Conversion of Esters to Nitriles and Ketones under Metal-Free Conditions
  作者：Jing Xiao、Fengzhe Guo、Yinfeng Li、Fangshao Li、Qiang Li、Zi-Long Tang

  DOI：10.1021/acs.joc.0c02794

  日期：2021.1.15

  We report a novel strategy to prepare valuable nitriles and ketones through the conversion of esters under metal-free conditions. By using the I2/PCl3 system, various substrates including aliphatic and aromatic esters could react with acetonitrile and arenes to afford the desired products in good to excellent yields. This method is compatible with a number of functional groups and provides a simple

  我们报告了一种通过在无金属条件下转化酯来制备有价值的腈和酮的新策略。通过使用I 2 / PCl 3系统，包括脂肪族和芳香族酯在内的各种底物可以与乙腈和芳烃反应，以良好或极好的收率提供所需的产物。该方法与许多官能团相容，并为腈化合物和芳基酮的合成提供了一种简单而实用的方法。
• New methodology in determining evidence for single electron transfer in the reaction of Grignard reagents with ketones
  作者：Yunshi Zhang、Bernd Wenderoth、Wei-Yang Su、E.C. Ashby

  DOI：10.1016/0022-328x(85)87318-6

  日期：1985.9

  the existence of single electron transfer in the reaction of Grignard reagents with ketones. The method involves the determination of pseudo-first order rate constants by following the rate of disappearance of the paramagnetic intermediate and relating the rate of this disappearance to the appearance of product. The reactions of methyl-, phenyl- and t-butyl-Grignard reagents with substituted benzophenones

  据报道，一种新方法可确定格氏试剂与酮反应中是否存在单电子转移。该方法包括通过遵循顺磁性中间体的消失速率并将该消失速率与产物的外观相关联来确定伪一级速率常数。检查了甲基，苯基和叔丁基格氏试剂与取代的二苯甲酮的反应。该方法应适用于广泛的有机金属反应。
• Ring<i>tert</i>-Butylation of Benzophenones and Benzaldehyde with<i>tert</i>-Butyllithium and Thionyl Chloride
  作者：George A. Olah、An-hsiang Wu、Omar Farooq

  DOI：10.1055/s-1991-28416

  日期：——

  One-flask ring tert-butylation of benzophenones and benzaldehyde with tert-butyllithium and thionyl chloride is reported. The scope of the reaction and the suggested mechanism are discussed.

  报告了使用叔丁基锂和亚硫氯酸酯对苯甲酮和苯甲醛进行一瓶法环状叔丁基化的研究。讨论了反应的适用范围和建议的机制。
• The “kinetic capture” of an acylium ion from live aluminum chloride promoted Friedel–Crafts acylation reactions
  作者：Zhiliang Huang、Liqun Jin、Heyou Han、Aiwen Lei

  DOI：10.1039/c3ob27094g

  日期：——

  AlCl3 promoted Friedel–Crafts acylation between 4-tert-butylbenzoyl chloride and mesitylene was investigated. The donor–acceptor complex was observed as the major species. Kinetic investigation demonstrated that the reaction was first-order on the donor–acceptor complex and zero-order on ArH, suggesting that the donor–acceptor complex was not the true reactive species. However, the acylium ion was

  AlCl 3促进了Friedel-Crafts之间的酰化反应4-叔丁基苯甲酰氯 和 均三甲苯被调查了。供体-受体复合体被认为是主要种类。动力学研究表明，该反应在给体-受体复合物上是一级反应，在ArH上为零阶，表明该供体-受体复合物不是真正的反应性物种。然而，在活性反应条件下，具有相当低的浓度，几乎看不到酰基离子。通过动力学数据（“动力学捕获”），在AlCl 3促进的Friedel-Crafts酰化反应中，它被确认为真正的反应物种。
• Palladium and Copper‐Catalyzed Friedel–Crafts Acylation with Activated Amides
  作者：Haeun Park、Sunwoo Lee

  DOI：10.1002/adsc.202300376

  日期：2023.9.19

  The Friedel-Crafts acylation reaction between activated amides and arenes was carried out by employing [Pd(cinnamyl)Cl]2 and Cu(OTf)2 as catalysts. A range of N-phenyl-N-tosylbenzamides, which were substituted at the phenyl ring of the benzamide moiety, underwent reaction with various arenes, such as mesitylene, toluene, anisole, 4-tert-butylbenzene, o-xylene, m-xylene, and p-xylene, affording the

  以[Pd(肉桂基)Cl] 2和Cu(OTf) 2为催化剂，进行了活化酰胺与芳烃的Friedel-Crafts酰化反应。一系列N-苯基-N-甲苯磺酰基苯甲酰胺在苯甲酰胺部分的苯环上被取代，与各种芳烃发生反应，如均三甲苯、甲苯、苯甲醚、4-叔丁基苯、邻二甲苯、间二甲苯，和对二甲苯，得到相应的二芳基酮，产率范围为49%至89%。